3-methyl-N-[2,2,2-trichloro-1-(4-{[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide
Chemical Structure Depiction of
3-methyl-N-[2,2,2-trichloro-1-(4-{[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide
3-methyl-N-[2,2,2-trichloro-1-(4-{[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide
Compound characteristics
| Compound ID: | 1504-0528 |
| Compound Name: | 3-methyl-N-[2,2,2-trichloro-1-(4-{[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide |
| Molecular Weight: | 587.97 |
| Molecular Formula: | C25 H25 Cl3 N2 O4 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(/C(=C\c2ccc(cc2)OC(C([Cl])([Cl])[Cl])NC(CC(C)C)=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5215 |
| logD: | 6.2431 |
| logSw: | -6.4836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.619 |
| InChI Key: | PSXJEXWOUBNGIT-QHCPKHFHSA-N |